1,2,3,4,5,6-六-O-硝基己糖醇
TL;DR: 1,2,3,4,5,6-六-O-硝基己糖醇 (CAS 17091-13-3) is a chemical compound with molecular formula C6H8N6O18 and molecular weight 451.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,4,5,6-六-O-硝基己糖醇
1,2,4,5,6-pentanitrooxyhexan-3-yl nitrate
Also Known As: Nitranitol, Mannithexanitrat, Mannitol, hexanitrate, D-Glucitol hexanitrate, MANNITOL HEXANITRATE
| Molecular Formula | C6H8N6O18 |
|---|---|
| Molecular Weight | 451.99 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 330.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 11 |
| Exact Mass | 451.9895 |
| Heavy Atoms | 30 |
| Complexity | 578.0 |
Chemical Identifiers
| CAS Number | 17091-13-3 |
|---|---|
| SMILES | C(C(C(C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-] |
| InChIKey | DGMJZELBSFOPHH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3,4,5,6-六-O-硝基己糖醇 (CAS 17091-13-3), with molecular formula C6H8N6O18 and molecular weight 451.99 g/mol. IUPAC: 1,2,4,5,6-pentanitrooxyhexan-3-yl nitrate.
Chemical Property Profile of 1,2,3,4,5,6-六-O-硝基己糖醇
Property Insights of 1,2,3,4,5,6-六-O-硝基己糖醇
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3,4,5,6-六-O-硝基己糖醇. The TPSA of 330.0 Ų indicates high polarity, suggesting 1,2,3,4,5,6-六-O-硝基己糖醇 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,2,3,4,5,6-六-O-硝基己糖醇 has 0 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2,3,4,5,6-六-O-硝基己糖醇?
The CAS number of 1,2,3,4,5,6-六-O-硝基己糖醇 is 17091-13-3.
What is the molecular formula of 1,2,3,4,5,6-六-O-硝基己糖醇?
The molecular formula of 1,2,3,4,5,6-六-O-硝基己糖醇 is C6H8N6O18.
What is the molecular weight of 1,2,3,4,5,6-六-O-硝基己糖醇?
The molecular weight of 1,2,3,4,5,6-六-O-硝基己糖醇 is 451.99 g/mol.
Where can I buy 1,2,3,4,5,6-六-O-硝基己糖醇?
You can request a quote for 1,2,3,4,5,6-六-O-硝基己糖醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4,5,6-六-O-硝基己糖醇?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4,5,6-六-O-硝基己糖醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.